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2060048-30-6 | 1-(3-iodo-4-methylphenyl)-3-propanoylpiperidin-2-one
CAS No: 2060048-30-6 Catalog No: AG01BZ1Y MDL No:MFCD30487687
Product Description
Catalog Number:
AG01BZ1Y
Chemical Name:
1-(3-iodo-4-methylphenyl)-3-propanoylpiperidin-2-one
CAS Number:
2060048-30-6
Molecular Formula:
C15H18INO2
Molecular Weight:
371.2134
MDL Number:
MFCD30487687
IUPAC Name:
1-(3-iodo-4-methylphenyl)-3-propanoylpiperidin-2-one
InChI:
InChI=1S/C15H18INO2/c1-3-14(18)12-5-4-8-17(15(12)19)11-7-6-10(2)13(16)9-11/h6-7,9,12H,3-5,8H2,1-2H3
InChI Key:
NTPAOHDOBNVMAD-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCN(C1=O)c1ccc(c(c1)I)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.218g/mol
Monoisotopic Mass:
371.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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